methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)

C21H44N4 — CID 158463391

IUPACmethane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)
SMILESC.CN1CCC2(CCNCC2)CC1.CN1CCC2(CCNCC2)CC1
InChIInChI=1S/2C10H20N2.CH4/c2*1-12-8-4-10(5-9-12)2-6-11-7-3-10;/h2*11H,2-9H2,1H3;1H4
InChIKeyHFLMZYRWFYDFRW-UHFFFAOYSA-N
MW352.61 g/mol
LogP2.80
Rot. Bonds

About methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)

methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane) (PubChem CID 158463391) has the molecular formula C21H44N4 and a molecular weight of 352.61 g/mol. Its IUPAC name is methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane).

Molecular Properties

Compound Namemethane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)
PubChem CID158463391
Molecular FormulaC21H44N4
Molecular Weight352.61 g/mol
Exact Mass352.36
IUPAC Namemethane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)
SMILESC.CN1CCC2(CCNCC2)CC1.CN1CCC2(CCNCC2)CC1
InChIInChI=1S/2C10H20N2.CH4/c2*1-12-8-4-10(5-9-12)2-6-11-7-3-10;/h2*11H,2-9H2,1H3;1H4
InChIKeyHFLMZYRWFYDFRW-UHFFFAOYSA-N
XLogP2.80
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-azaspiro[3.4]octane;3-methyl-3,9-diazaspiro[5.5]undecane
CID 177149163
2,2-dimethylpropane;2-methyl-2,8-diazaspiro[4.5]decane
CID 145168180
N,3-dimethyl-N-piperidin-4-yl-3-azaspiro[5.5]undecan-9-amine
CID 167091216
3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine
CID 158023506
ethane;2-methyl-2,7-diazaspiro[3.5]nonane
CID 143448801
3-methyl-3-azaspiro[5.12]octadecane
CID 71021122
3-methyl-3-azaspiro[5.9]pentadecane
CID 170128255
2-methyl-2,7-diazaspiro[4.4]nonane;propane
CID 169170198
7-methyl-2-piperazin-1-yl-7-azaspiro[3.5]nonane
CID 142390652
7-methyl-2,7-diazaspiro[3.5]nonane;molecular hydrogen
CID 162530655
ethane;methane;1-methylpiperazine
CID 142051303
3-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 135257115

Frequently Asked Questions

What is the IUPAC name of methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)?
The IUPAC name of methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane) (CID 158463391) is methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane).
What is the SMILES notation for methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)?
The canonical SMILES for methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane) is C.CN1CCC2(CCNCC2)CC1.CN1CCC2(CCNCC2)CC1.
What is the InChIKey of methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)?
The InChIKey is HFLMZYRWFYDFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20N2.CH4/c2*1-12-8-4-10(5-9-12)2-6-11-7-3-10;/h2*11H,2-9H2,1H3;1H4.
What are the key properties of methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)?
methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane) has a molecular weight of 352.61 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane) is sourced from PubChem (CID 158463391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).